John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=13VQSZRLI3R SpectraBase Spectrum ID=8X5k9qf0K7M

(accessed ).
4-(4,8-DIMETHYL-AZULEN-1-YL)-2,6-DIPHENYL-PYRANYLIUM-PERCHLORATE;(RN=4',8'ME2;R=X=H)
SpectraBase Compound ID 13VQSZRLI3R
InChI InChI=1S/C29H23O.ClHO4/c1-20-10-9-11-21(2)29-25(20)16-17-26(29)24-18-27(22-12-5-3-6-13-22)30-28(19-24)23-14-7-4-8-15-23;2-1(3,4)5/h3-19H,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKey FQGQYJMUUOSNGF-UHFFFAOYSA-M
Mol Weight 486.95 g/mol
Molecular Formula C29H23ClO5
Exact Mass 486.123402 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8X5k9qf0K7M
Name 4-(4,8-DIMETHYL-AZULEN-1-YL)-2,6-DIPHENYL-PYRANYLIUM-PERCHLORATE;(RN=4',8'ME2;R=X=H)
Compound Number 6
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H23ClO5
InChI InChI=1S/C29H23O.ClHO4/c1-20-10-9-11-21(2)29-25(20)16-17-26(29)24-18-27(22-12-5-3-6-13-22)30-28(19-24)23-14-7-4-8-15-23;2-1(3,4)5/h3-19H,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKey FQGQYJMUUOSNGF-UHFFFAOYSA-M
Literature Reference Author A.C.RAZUS,L.BIRZAN,C.PAVEL,O.LEHADUS,A.C.CORBU,C.ENACHE
Literature Reference Citation J.HETCYCL.CHEM.,43,963(2006)
Literature Reference DOI 10.1002/jhet.5570430423
Molecular Weight 486.952 g/mol
Sample ID 67573
Solvent ACETONE-D6
SpectraBase Batch ID 9IT0dcdXxXu